Chlorine in PDB 6sgf: Molecular Insight Into A New Low Affinity Xylan Binding Module CBM86, From the Xylanolytic Gut Symbiont Roseburia Intestinalis.
Enzymatic activity of Molecular Insight Into A New Low Affinity Xylan Binding Module CBM86, From the Xylanolytic Gut Symbiont Roseburia Intestinalis.
All present enzymatic activity of Molecular Insight Into A New Low Affinity Xylan Binding Module CBM86, From the Xylanolytic Gut Symbiont Roseburia Intestinalis.:
3.2.1.8;
Protein crystallography data
The structure of Molecular Insight Into A New Low Affinity Xylan Binding Module CBM86, From the Xylanolytic Gut Symbiont Roseburia Intestinalis., PDB code: 6sgf
was solved by
M.Ejby,
M.Abou Hachem,
M.L.Leth,
A.Guskov,
D.Slotboom,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
46.44 /
1.76
|
Space group
|
P 65
|
Cell size a, b, c (Å), α, β, γ (°)
|
141.870,
141.870,
60.600,
90.00,
90.00,
120.00
|
R / Rfree (%)
|
17.9 /
22.4
|
Other elements in 6sgf:
The structure of Molecular Insight Into A New Low Affinity Xylan Binding Module CBM86, From the Xylanolytic Gut Symbiont Roseburia Intestinalis. also contains other interesting chemical elements:
Chlorine Binding Sites:
The binding sites of Chlorine atom in the Molecular Insight Into A New Low Affinity Xylan Binding Module CBM86, From the Xylanolytic Gut Symbiont Roseburia Intestinalis.
(pdb code 6sgf). This binding sites where shown within
5.0 Angstroms radius around Chlorine atom.
In total 8 binding sites of Chlorine where determined in the
Molecular Insight Into A New Low Affinity Xylan Binding Module CBM86, From the Xylanolytic Gut Symbiont Roseburia Intestinalis., PDB code: 6sgf:
Jump to Chlorine binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
Chlorine binding site 1 out
of 8 in 6sgf
Go back to
Chlorine Binding Sites List in 6sgf
Chlorine binding site 1 out
of 8 in the Molecular Insight Into A New Low Affinity Xylan Binding Module CBM86, From the Xylanolytic Gut Symbiont Roseburia Intestinalis.
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 1 of Molecular Insight Into A New Low Affinity Xylan Binding Module CBM86, From the Xylanolytic Gut Symbiont Roseburia Intestinalis. within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl208
b:13.2
occ:1.00
|
OD2
|
A:ASP51
|
2.3
|
33.8
|
1.0
|
O
|
A:HOH370
|
2.5
|
36.6
|
1.0
|
O
|
A:HOH420
|
2.8
|
47.1
|
1.0
|
CG
|
A:ASP51
|
3.4
|
23.1
|
1.0
|
CD
|
A:CD205
|
3.9
|
28.9
|
1.0
|
HB3
|
A:ASP51
|
4.0
|
26.5
|
1.0
|
CB
|
A:ASP51
|
4.1
|
22.1
|
1.0
|
HB2
|
A:ASP51
|
4.1
|
26.5
|
1.0
|
OD1
|
A:ASP51
|
4.3
|
22.8
|
1.0
|
O
|
A:HOH406
|
4.3
|
40.2
|
1.0
|
HE3
|
A:LYS55
|
4.8
|
33.9
|
1.0
|
|
Chlorine binding site 2 out
of 8 in 6sgf
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Chlorine Binding Sites List in 6sgf
Chlorine binding site 2 out
of 8 in the Molecular Insight Into A New Low Affinity Xylan Binding Module CBM86, From the Xylanolytic Gut Symbiont Roseburia Intestinalis.
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 2 of Molecular Insight Into A New Low Affinity Xylan Binding Module CBM86, From the Xylanolytic Gut Symbiont Roseburia Intestinalis. within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl209
b:66.2
occ:1.00
|
OD2
|
A:ASP87
|
2.6
|
30.5
|
1.0
|
O
|
A:HOH385
|
2.8
|
36.3
|
1.0
|
O
|
A:HOH420
|
3.0
|
47.1
|
1.0
|
CG
|
A:ASP87
|
3.6
|
29.8
|
1.0
|
CD
|
A:CD206
|
4.0
|
27.1
|
1.0
|
OD1
|
A:ASP87
|
4.0
|
25.1
|
1.0
|
HZ2
|
A:LYS55
|
4.2
|
46.5
|
1.0
|
O
|
A:HOH313
|
4.4
|
30.6
|
1.0
|
O
|
A:HOH406
|
4.6
|
40.2
|
1.0
|
HZ3
|
A:LYS55
|
4.8
|
46.5
|
1.0
|
CB
|
A:ASP87
|
4.9
|
21.0
|
1.0
|
NZ
|
A:LYS55
|
4.9
|
38.8
|
1.0
|
HB2
|
A:ASP87
|
4.9
|
25.2
|
1.0
|
|
Chlorine binding site 3 out
of 8 in 6sgf
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Chlorine Binding Sites List in 6sgf
Chlorine binding site 3 out
of 8 in the Molecular Insight Into A New Low Affinity Xylan Binding Module CBM86, From the Xylanolytic Gut Symbiont Roseburia Intestinalis.
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 3 of Molecular Insight Into A New Low Affinity Xylan Binding Module CBM86, From the Xylanolytic Gut Symbiont Roseburia Intestinalis. within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Cl207
b:11.4
occ:1.00
|
OD2
|
B:ASP51
|
2.4
|
29.3
|
1.0
|
O
|
B:HOH406
|
2.5
|
39.0
|
1.0
|
O
|
B:HOH394
|
2.8
|
34.5
|
1.0
|
CG
|
B:ASP51
|
3.4
|
24.6
|
1.0
|
O
|
B:HOH389
|
3.8
|
43.6
|
1.0
|
HB3
|
B:ASP51
|
4.0
|
24.9
|
1.0
|
CB
|
B:ASP51
|
4.1
|
20.8
|
1.0
|
HB2
|
B:ASP51
|
4.2
|
24.9
|
1.0
|
OD1
|
B:ASP51
|
4.3
|
22.0
|
1.0
|
HE3
|
B:LYS55
|
4.9
|
31.8
|
1.0
|
|
Chlorine binding site 4 out
of 8 in 6sgf
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Chlorine Binding Sites List in 6sgf
Chlorine binding site 4 out
of 8 in the Molecular Insight Into A New Low Affinity Xylan Binding Module CBM86, From the Xylanolytic Gut Symbiont Roseburia Intestinalis.
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 4 of Molecular Insight Into A New Low Affinity Xylan Binding Module CBM86, From the Xylanolytic Gut Symbiont Roseburia Intestinalis. within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Cl208
b:5.4
occ:1.00
|
CD
|
C:CD207
|
2.3
|
44.8
|
1.0
|
OD1
|
D:ASP51
|
2.4
|
23.3
|
1.0
|
O
|
D:HOH370
|
2.5
|
27.2
|
1.0
|
O
|
C:HOH380
|
2.6
|
27.6
|
1.0
|
OD1
|
C:ASP87
|
2.8
|
24.5
|
1.0
|
O
|
D:HOH393
|
3.3
|
31.9
|
1.0
|
CG
|
D:ASP51
|
3.5
|
29.6
|
1.0
|
H
|
D:ASP51
|
3.7
|
26.1
|
1.0
|
CG
|
C:ASP87
|
3.8
|
26.6
|
1.0
|
H
|
C:ASP87
|
4.0
|
23.8
|
1.0
|
HA
|
D:ASP51
|
4.1
|
23.7
|
1.0
|
HA
|
C:ASP87
|
4.1
|
25.6
|
1.0
|
OD2
|
D:ASP51
|
4.2
|
31.5
|
1.0
|
OD2
|
C:ASP87
|
4.3
|
27.4
|
1.0
|
N
|
D:ASP51
|
4.3
|
21.8
|
1.0
|
CA
|
D:ASP51
|
4.5
|
19.8
|
1.0
|
N
|
C:ASP87
|
4.6
|
19.8
|
1.0
|
CB
|
D:ASP51
|
4.6
|
23.2
|
1.0
|
O
|
D:HOH397
|
4.7
|
29.1
|
1.0
|
CA
|
C:ASP87
|
4.7
|
21.4
|
1.0
|
HB1
|
D:ALA50
|
4.8
|
23.6
|
1.0
|
HB1
|
C:ALA86
|
4.8
|
27.3
|
1.0
|
CB
|
C:ASP87
|
4.9
|
22.1
|
1.0
|
|
Chlorine binding site 5 out
of 8 in 6sgf
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Chlorine Binding Sites List in 6sgf
Chlorine binding site 5 out
of 8 in the Molecular Insight Into A New Low Affinity Xylan Binding Module CBM86, From the Xylanolytic Gut Symbiont Roseburia Intestinalis.
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 5 of Molecular Insight Into A New Low Affinity Xylan Binding Module CBM86, From the Xylanolytic Gut Symbiont Roseburia Intestinalis. within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Cl209
b:10.4
occ:1.00
|
OD2
|
C:ASP51
|
2.4
|
24.0
|
1.0
|
OD2
|
D:ASP87
|
2.5
|
32.5
|
1.0
|
O
|
C:HOH392
|
2.5
|
50.8
|
1.0
|
O
|
D:HOH400
|
2.6
|
42.2
|
1.0
|
O
|
C:HOH383
|
2.6
|
44.1
|
1.0
|
O
|
D:HOH350
|
2.7
|
33.5
|
1.0
|
CG
|
C:ASP51
|
3.4
|
26.2
|
1.0
|
CG
|
D:ASP87
|
3.6
|
31.4
|
1.0
|
HB3
|
C:ASP51
|
3.8
|
29.6
|
1.0
|
OD1
|
D:ASP87
|
4.0
|
24.5
|
1.0
|
CD
|
C:CD206
|
4.0
|
27.1
|
1.0
|
HZ2
|
D:LYS55
|
4.0
|
39.1
|
1.0
|
CB
|
C:ASP51
|
4.0
|
24.6
|
1.0
|
HB2
|
C:ASP51
|
4.0
|
29.6
|
1.0
|
O
|
D:HOH315
|
4.2
|
30.8
|
1.0
|
OD1
|
C:ASP51
|
4.3
|
27.7
|
1.0
|
O
|
D:HOH319
|
4.4
|
40.6
|
1.0
|
HZ1
|
D:LYS55
|
4.5
|
39.1
|
1.0
|
NZ
|
D:LYS55
|
4.7
|
32.6
|
1.0
|
O
|
C:HOH397
|
4.7
|
33.9
|
1.0
|
O
|
F:HOH338
|
4.9
|
38.4
|
1.0
|
CB
|
D:ASP87
|
4.9
|
22.7
|
1.0
|
HB2
|
D:ASP87
|
4.9
|
27.3
|
1.0
|
HE3
|
C:LYS55
|
5.0
|
46.3
|
1.0
|
HZ3
|
D:LYS55
|
5.0
|
39.1
|
1.0
|
|
Chlorine binding site 6 out
of 8 in 6sgf
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Chlorine Binding Sites List in 6sgf
Chlorine binding site 6 out
of 8 in the Molecular Insight Into A New Low Affinity Xylan Binding Module CBM86, From the Xylanolytic Gut Symbiont Roseburia Intestinalis.
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 6 of Molecular Insight Into A New Low Affinity Xylan Binding Module CBM86, From the Xylanolytic Gut Symbiont Roseburia Intestinalis. within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Cl210
b:30.0
occ:1.00
|
OD2
|
C:ASP87
|
2.8
|
27.4
|
1.0
|
OD2
|
D:ASP51
|
3.0
|
31.5
|
1.0
|
O
|
D:HOH400
|
3.3
|
42.2
|
1.0
|
O
|
D:HOH319
|
3.6
|
40.6
|
1.0
|
CD
|
C:CD207
|
3.8
|
44.8
|
1.0
|
CG
|
C:ASP87
|
3.9
|
26.6
|
1.0
|
CG
|
D:ASP51
|
4.0
|
29.6
|
1.0
|
O
|
C:HOH326
|
4.2
|
43.7
|
1.0
|
OD1
|
C:ASP87
|
4.4
|
24.5
|
1.0
|
OD1
|
D:ASP51
|
4.6
|
23.3
|
1.0
|
HZ1
|
C:LYS55
|
4.7
|
46.7
|
1.0
|
O
|
D:HOH393
|
4.9
|
31.9
|
1.0
|
HE3
|
C:LYS55
|
5.0
|
46.3
|
1.0
|
|
Chlorine binding site 7 out
of 8 in 6sgf
Go back to
Chlorine Binding Sites List in 6sgf
Chlorine binding site 7 out
of 8 in the Molecular Insight Into A New Low Affinity Xylan Binding Module CBM86, From the Xylanolytic Gut Symbiont Roseburia Intestinalis.
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 7 of Molecular Insight Into A New Low Affinity Xylan Binding Module CBM86, From the Xylanolytic Gut Symbiont Roseburia Intestinalis. within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:Cl206
b:5.6
occ:1.00
|
OD1
|
E:ASP51
|
2.4
|
25.4
|
1.0
|
O
|
E:HOH369
|
2.5
|
30.7
|
1.0
|
OD1
|
F:ASP87
|
2.7
|
32.6
|
1.0
|
CG
|
E:ASP51
|
3.6
|
28.6
|
1.0
|
CG
|
F:ASP87
|
3.7
|
25.3
|
1.0
|
CD
|
E:CD205
|
3.8
|
35.3
|
1.0
|
H
|
E:ASP51
|
3.9
|
31.6
|
1.0
|
H
|
F:ASP87
|
4.1
|
21.4
|
1.0
|
HA
|
E:ASP51
|
4.2
|
25.6
|
1.0
|
HA
|
F:ASP87
|
4.2
|
27.2
|
1.0
|
OD2
|
F:ASP87
|
4.2
|
25.4
|
1.0
|
OD2
|
E:ASP51
|
4.3
|
33.1
|
1.0
|
N
|
E:ASP51
|
4.5
|
26.3
|
1.0
|
CA
|
E:ASP51
|
4.7
|
21.3
|
1.0
|
N
|
F:ASP87
|
4.7
|
17.8
|
1.0
|
O
|
E:HOH385
|
4.7
|
31.5
|
1.0
|
CB
|
E:ASP51
|
4.7
|
20.7
|
1.0
|
CA
|
F:ASP87
|
4.8
|
22.7
|
1.0
|
O
|
F:HOH388
|
4.8
|
43.3
|
1.0
|
HB1
|
F:ALA86
|
4.9
|
26.8
|
1.0
|
CB
|
F:ASP87
|
4.9
|
19.5
|
1.0
|
HB1
|
E:ALA50
|
4.9
|
29.7
|
1.0
|
|
Chlorine binding site 8 out
of 8 in 6sgf
Go back to
Chlorine Binding Sites List in 6sgf
Chlorine binding site 8 out
of 8 in the Molecular Insight Into A New Low Affinity Xylan Binding Module CBM86, From the Xylanolytic Gut Symbiont Roseburia Intestinalis.
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 8 of Molecular Insight Into A New Low Affinity Xylan Binding Module CBM86, From the Xylanolytic Gut Symbiont Roseburia Intestinalis. within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
F:Cl205
b:12.9
occ:1.00
|
O
|
E:HOH382
|
2.4
|
37.2
|
1.0
|
OD2
|
F:ASP51
|
2.4
|
25.9
|
1.0
|
OD2
|
E:ASP87
|
2.5
|
28.6
|
1.0
|
O
|
E:HOH398
|
2.5
|
45.9
|
1.0
|
O
|
F:HOH381
|
2.6
|
45.4
|
1.0
|
CG
|
F:ASP51
|
3.5
|
26.6
|
1.0
|
CG
|
E:ASP87
|
3.6
|
31.6
|
1.0
|
HB3
|
F:ASP51
|
3.9
|
31.3
|
1.0
|
OD1
|
E:ASP87
|
4.0
|
26.7
|
1.0
|
CD
|
C:CD205
|
4.0
|
31.6
|
1.0
|
HB2
|
F:ASP51
|
4.1
|
31.3
|
1.0
|
CB
|
F:ASP51
|
4.1
|
26.1
|
1.0
|
O
|
E:HOH320
|
4.2
|
29.9
|
1.0
|
O
|
F:HOH386
|
4.2
|
44.5
|
1.0
|
HZ1
|
E:LYS55
|
4.3
|
40.2
|
1.0
|
OD1
|
F:ASP51
|
4.4
|
32.7
|
1.0
|
CB
|
E:ASP87
|
4.8
|
18.5
|
1.0
|
HB2
|
E:ASP87
|
4.8
|
22.2
|
1.0
|
HZ3
|
E:LYS55
|
5.0
|
40.2
|
1.0
|
|
Reference:
M.L.Leth,
M.Ejby,
E.Madland,
Y.Kitaoku,
D.J.Slotboom,
A.Guskov,
F.L.Aachmann,
M.Abou Hachem.
Molecular Insight Into A New Low Affinity Xylan Binding Module From the Xylanolytic Gut Symbiont Roseburia Intestinalis. Febs J. 2019.
ISSN: ISSN 1742-464X
PubMed: 31693302
DOI: 10.1111/FEBS.15117
Page generated: Mon Jul 29 14:57:49 2024
|